QSPR as a means of predicting and understanding chemical and physical properties in terms of structure

被引：111

作者：

Katritzky, AR ^{[1
]}

Karelson, M ^{[1
]}

Lobanov, VS ^{[1
]}

机构：

[1] TARTU STATE UNIV,DEPT CHEM,EE-2400 TARTU,ESTONIA

来源：

PURE AND APPLIED CHEMISTRY | 1997年 / 69卷 / 02期

关键词：

D O I：

10.1351/pac199769020245

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

[No abstract available]

引用

页码：245 / 248

页数：4

共 9 条

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[3] Prediction of critical micelle concentration using a quantitative structure-property relationship approach .1. Nonionic surfactants [J].

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Karelson, M .

LANGMUIR, 1996, 12 (06) :1462-1470

[4] QSPR - THE CORRELATION AND QUANTITATIVE PREDICTION OF CHEMICAL AND PHYSICAL-PROPERTIES FROM STRUCTURE [J].

KATRITZKY, AR ;

LOBANOV, VS ;

KARELSON, M .

CHEMICAL SOCIETY REVIEWS, 1995, 24 (04) :279-+

[5] Prediction of polymer glass transition temperatures using a general quantitative structure-property relationship treatment [J].

Katritzky, AR ;

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Karelson, M ;

Lobanov, VS .

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1996, 36 (04) :879-884

[6] PREDICTION OF GAS-CHROMATOGRAPHIC RETENTION TIMES AND RESPONSE FACTORS USING A GENERAL QUANTITATIVE STRUCTURE-PROPERTY RELATIONSHIP TREATMENT [J].

KATRITZKY, AR ;

IGNATCHENKO, ES ;

BARCOCK, RA ;

LOBANOV, VS ;

KARELSON, M .

ANALYTICAL CHEMISTRY, 1994, 66 (11) :1799-1807

[7] Correlation of boiling points with molecular structure .1. A training set of 298 diverse organics and a test set of 9 simple inorganics [J].

Katritzky, AR ;

Mu, L ;

Lobanov, VS ;

Karelson, M .

JOURNAL OF PHYSICAL CHEMISTRY, 1996, 100 (24) :10400-10407

[8]

MURUGAN R, 1994, CHEMTECH, V24, P17

[9]

Stuper A.J., 1979, Computer-Assisted Studies of Chemical Structure and Biological Function

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